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/* name: select.h */
/* author: J. Michael Word */
/* date written: 2/20/96 */
/* purpose: parse atom selections */
/*****************************************************************/
/* NOTICE: This is free software and the source code is freely */
/* available. You are free to redistribute or modify under the */
/* conditions that (1) this notice is not removed or modified */
/* in any way and (2) any modified versions of the program are */
/* also available for free. */
/* ** Absolutely no Warranty ** */
/* Copyright (C) 1999 J. Michael Word */
/*****************************************************************/
#ifndef SELECT_H
#define SELECT_H 1
#include "abin.h"
#include "parse.h"
typedef struct {char * rlist; char * alist; int bits;} ResidueAndAtomPair;
pattern* getPat(char *line, char *which, int verbose);
void setProperties(atom *a, int hetflag, int hb2aromaticFace, int chohb);
int matchPat(atom *a, pattern *pat);
void setAromaticProp(atom *a);
void setMethylProp(atom *a);
int isCarbonylAtom(atom *a);
int atomWithinDistance(atom *a, float *fvec);
char * setHydrogenParentName(char *rname, char *aname);
char * setMainchainBonding(char *rname, char *aname);
int naBaseCategory(atom *a);
#endif
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